1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid

C19H21N5O2 — CID 56656021

IUPAC1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid
SMILESCNc1nc(-n2cc(C(=O)O)cn2)nc2ccc(C3CCCCC3)cc12
InChIInChI=1S/C19H21N5O2/c1-20-17-15-9-13(12-5-3-2-4-6-12)7-8-16(15)22-19(23-17)24-11-14(10-21-24)18(25)26/h7-12H,2-6H2,1H3,(H,25,26)(H,20,22,23)
InChIKeyNUHQTTIVPVCEKN-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.60
Rot. Bonds4

About 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid

1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid (PubChem CID 56656021) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid
PubChem CID56656021
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid
SMILESCNc1nc(-n2cc(C(=O)O)cn2)nc2ccc(C3CCCCC3)cc12
InChIInChI=1S/C19H21N5O2/c1-20-17-15-9-13(12-5-3-2-4-6-12)7-8-16(15)22-19(23-17)24-11-14(10-21-24)18(25)26/h7-12H,2-6H2,1H3,(H,25,26)(H,20,22,23)
InChIKeyNUHQTTIVPVCEKN-UHFFFAOYSA-N
XLogP3.60
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-amino-1-(4-methylquinolin-2-yl)-1H-pyrazole-4-carboxylate
CID 732237
US10246442, Example 31
CID 56656094
4-[(3-Fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide
CID 66761937
7-Amino-6-[4-(3-m-tolylureido)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid
CID 24894299
3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-indazol-2-ylpyrimidin-2-yl]amino]propanoic acid
CID 127036632
3-[[4-Indazol-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]amino]propanoic acid
CID 127037026
1-(4-(Diethylamino)-6-(piperidin-1-yl)quinazolin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 56655484
US10246442, Example 96
CID 56655627
US10246442, Example 25
CID 56656090
US10246442, Example 26
CID 56656091
US10246442, Example 27
CID 56656092
US10246442, Example 28
CID 56656093

Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid (CID 56656021) is 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid is CNc1nc(-n2cc(C(=O)O)cn2)nc2ccc(C3CCCCC3)cc12.
What is the InChIKey of 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is NUHQTTIVPVCEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-20-17-15-9-13(12-5-3-2-4-6-12)7-8-16(15)22-19(23-17)24-11-14(10-21-24)18(25)26/h7-12H,2-6H2,1H3,(H,25,26)(H,20,22,23).
What are the key properties of 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid?
1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 351.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclohexyl-4-(methylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 56656021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).